1,2,3,4,5,6-Hexahydro(2.2)paracyclophane

Base Information

• Chemical Name: 1,2,3,4,5,6-Hexahydro(2.2)paracyclophane
• CAS No.: 90817-44-0
• Molecular Formula: C₁₆H₂₄
• Molecular Weight: 216.367
• DSSTox Substance ID: DTXSID50238290
• Wikidata: Q83120561
• Mol file: 90817-44-0.mol

Synonyms:1,2,3,4,5,6-Hexahydro(2.2)paracyclophane;90817-44-0;1,2,3,4,5,6-Hexahydro[2.2]paracyclophane;DTXSID50238290

Chemical Property of 1,2,3,4,5,6-Hexahydro(2.2)paracyclophane

Chemical Property:

• Vapor Pressure: 0.000188mmHg at 25°C
• Boiling Point: 338.8°C at 760 mmHg
• Flash Point: 140.2°C
• Density: 0.96g/cm³
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 216.187800766
• Heavy Atom Count: 16
• Complexity: 268

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CCC1CCC3=CCC(=CC3)CC2

Technology Process of 1,2,3,4,5,6-Hexahydro(2.2)paracyclophane

There total 1 articles about 1,2,3,4,5,6-Hexahydro(2.2)paracyclophane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 35.0%

[2.2]Paracyclophan (1633-22-3) → 1,2,2',3,4,5,5',6-Octahydro<2.2>paracyclophane (90817-44-0)

Guidance literature:

With hydrogen; platinum; In acetic acid; ethyl acetate; for 19h; Ambient temperature;

Reference yield:

1,2,2',3,4,5,5',6-Octahydro<2.2>paracyclophane (90817-44-0) → 1,2-di-p-tolylethane (538-39-6)

Guidance literature:

at 210 - 320 ℃;

DOI:10.1021/ja01628a067

upstream raw materials:

[2.2]Paracyclophan

Downstream raw materials:

1,2-di-p-tolylethane